CID 22625906

43050-39-1

Structural Information

Molecular Formula
C13H16O3
SMILES
COC1=CC=CC(=C1)C2(CCCC2)C(=O)O
InChI
InChI=1S/C13H16O3/c1-16-11-6-4-5-10(9-11)13(12(14)15)7-2-3-8-13/h4-6,9H,2-3,7-8H2,1H3,(H,14,15)
InChIKey
BDUMKMDZDPHFJH-UHFFFAOYSA-N
Compound name
1-(3-methoxyphenyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

220.10994 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11722 149.5
[M+Na]+ 243.09916 155.8
[M-H]- 219.10266 154.8
[M+NH4]+ 238.14376 170.6
[M+K]+ 259.07310 153.5
[M+H-H2O]+ 203.10720 144.0
[M+HCOO]- 265.10814 170.5
[M+CH3COO]- 279.12379 183.8
[M+Na-2H]- 241.08461 152.5
[M]+ 220.10939 148.0
[M]- 220.11049 148.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe